1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine

C12H23N — CID 44721306

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine
SMILESCC(N)C1CCCC2CCCCC21
InChIInChI=1S/C12H23N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h9-12H,2-8,13H2,1H3
InChIKeyGEFQZSCJDCFUOU-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds1

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine (PubChem CID 44721306) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine
PubChem CID44721306
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine
SMILESCC(N)C1CCCC2CCCCC21
InChIInChI=1S/C12H23N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h9-12H,2-8,13H2,1H3
InChIKeyGEFQZSCJDCFUOU-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine (CID 44721306) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine is CC(N)C1CCCC2CCCCC21.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine?
The InChIKey is GEFQZSCJDCFUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h9-12H,2-8,13H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 44721306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).